相关论文: Coherent and Dynamic Small Polaron Delocalization …
Polaron and bipolaron formation in the Holstein-Hubbard model with harmonic confinement potential, relevant to quantum dot structures, is investigated in one to three dimensions by means of unbiased quantum Monte Carlo simulations. The…
In materials with strong electron-phonon ($e$-ph) interactions, the electrons carry a phonon cloud during their motion, forming quasiparticles known as polarons. Predicting charge transport and its temperature dependence in the polaron…
Considering the long range Coulomb interactions between large polarons in dielectrics, we propose a model for their crystallization when no bipolarons are formed. As the density increases, the melting is examined at $T=OK$. One possibility…
We use variable-temperature x-ray thermal diffuse scattering and inelastic scattering to investigate the lattice dynamics in single crystals of multiferroic CaMn7O12 which undergo a series of orbital and magnetic transitions at low…
Transition metal oxides such as \ce{BiVO4} are promising materials as photoelectrodes in solar-to-fuel conversion applications. However, their performance is limited by the low carrier mobility (especially electron mobility) due to the…
We study the effects of lattice type on polaron dynamics using a continuous-time quantum Monte-Carlo approach. Holstein and screened Froehlich polarons are simulated on a number of different Bravais lattices. The effective mass, isotope…
The Holstein Hubbard and Holstein t--J models are studied for a wide range of phonon frequencies, electron--electron and electron--phonon interaction strengths on finite lattices with up to ten sites by means of direct Lanczos…
The dynamical behavior of an acoustic polaron in typical non-degenerate conjugated polymer, polydiacetylene, is numerically studied by using Su-Schrieffer-Heeger's model for the one dimensional electron-lattice system. It is confirmed that…
Polaronic features similar to those previously observed in the photoinduced spectra of cuprates have been detected in the reflectivity spectra of chemically doped parent compounds of high-critical-temperature superconductors, both $n$-type…
Lead halide perovskite semiconductors are soft, polar, materials. The strong driving force for polaron formation (the dielectric electron-phonon coupling) is balanced by the light band effective-masses, leading to a strongly-interacting…
The crossover from quasi free electron to small polaron in the Holstein model for a single electron is studied by means of both exact and self-consistent calculations in one dimension and on an infinite coordination lattice, in order to…
The polaron features due to electron-phonon interactions with different coupling ranges are investigated by adopting a variational approach. The ground-state energy, the spectral weight, the average kinetic energy, the mean number of…
We have performed a comprehensive computational study of the vibrational properties and electron-phonon couplings in the three known polymorphs of pentacene. Vibrational patterns and electron-phonon interactions were calculated at several…
Confinement processes arranging small polarons into insulating periodic structures above certain conversion tempereture are considered. Vibronic (Jahn-Teller) polarons associating inherent electric & magnetic dipoles coupled to external…
We study the coherent dynamics of a Holstein polaron in strong electric fields. A detailed analytical and numerical analysis shows that even for small hopping constant and weak electron-phonon interaction, polaron states can become…
We describe the formation and properties of Holstein polarons in the entire parameter regime. Our presentation focuses on the polaron mass and radius, which we obtain with an improved numerical technique. It is based on the combination of…
Layered superatomic semiconductors, whose buildings blocks are atomically precise molecular clusters, exhibit interesting electronic and vibrational properties. In recent work [Science 382, 438 (2023)], transient reflection microscopy…
Polarons are ubiquitous in many semiconductors and have been linked with conductivity and optical response of materials for photovoltaics and heterogeneous catalysis, yet how surface polarons influence adsorption remains unclear. Here, by…
We obtain analytical expressions for the large- and small-radius polarons on the one-dimensional lattice in the TBA approximation. The equations of motion for this model are treated classically for the oscillator subsystem, while a quantum…
Understanding the electronic properties of doped copper-oxygen planes remains a significant challenge in condensed matter physics and is crucial to unraveling the mechanisms behind high-temperature superconductivity in cuprates. Recently,…